SCHEMBL4071469

SCHEMBL4071469

Cc1ccc(CNC(=O)N2CCC(N3CCC(c4ccccc4)CC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53
▸ TUBA1A Q71U36 1/20 0.53
▸ TUBA1C Q9BQE3 1/20 0.53
▸ TUBB6 Q9BUF5 1/20 0.53
▸ TUBB2B Q9BVA1 1/20 0.53
▸ TUBB1 Q9H4B7 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ NPC1 O15118 3/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14112120 0.92 HRH3 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14112119 0.89 NPC1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14112140 0.89 ALDH1A1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1575388 0.85 HRH3 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14112113 0.82 CCR2 (0.67) —
SCHEMBL14112142 0.81 CYP2C9 (0.48) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL14112121 0.81 MAPK8 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14112130 0.81 GRIN2B (0.65) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL14112128 0.78 EPHX2 (0.60) EPHX2CYP2C9CYP2C19
SCHEMBL14207996 0.78 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 — — EP disclosed
CN-101534824-A Aminopyrrolidines as chemokine receptor antagonists ABBOTT LAB (US) 2009-09-16 — — CN disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 — — WO disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 TUBB4A 1215/4885TUBB 1436/4885TUBA3C 1682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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